diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynAscii.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynAscii.py
new file mode 100644
index 0000000000000000000000000000000000000000..acf769219fbf38fc6b888f5ee903b9beab056a35
--- /dev/null
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynAscii.py
@@ -0,0 +1,26 @@
+# Algorithm to start Force
+from MantidFramework import *
+from MolDynTransfer import MolDynText
+
+class MolDynAscii(PythonAlgorithm):
+
+ def category(self):
+ return "Workflow\\MIDAS;PythonAlgorithms"
+
+ def PyInit(self):
+ self.declareProperty('FileName', DefaultValue='', Validator = MandatoryValidator(),Description = 'File name (cdl ext)')
+ self.declareProperty(Name='Verbose',DefaultValue=True,Description = 'Switch Verbose Off/On')
+ self.declareProperty(Name='Save',DefaultValue=False,Description = 'Switch Save result to nxs file Off/On')
+ self.declareProperty(Name='Plot',DefaultValue='None',Validator=ListValidator(['None','Spectrum','Contour','Both']),Description = 'Plot options')
+
+ def PyExec(self):
+
+ self.log().information('MolDynLoad input')
+ file = self.getPropertyValue('FileName')
+ verbOp = self.getProperty('Verbose')
+ saveOp = self.getProperty('Save')
+ plotOp = self.getPropertyValue('Plot')
+
+ MolDynText(file,verbOp,plotOp,saveOp)
+
+mantid.registerPyAlgorithm(MolDynAscii()) # Register algorithm with Mantid
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynLoad.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynLoad.py
new file mode 100644
index 0000000000000000000000000000000000000000..001c9b06469051a5b3d83b8a0acd9696b1aeeba3
--- /dev/null
+++ b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/MolDynLoad.py
@@ -0,0 +1,29 @@
+# Algorithm to start Force
+from MantidFramework import *
+from MolDynTransfer import MolDynImport
+
+class MolDynLoad(PythonAlgorithm):
+
+ def category(self):
+ return "Workflow\\MIDAS;PythonAlgorithms"
+
+ def PyInit(self):
+ self.declareProperty('FileName', DefaultValue='', Validator = MandatoryValidator(),Description = 'File name (cdl ext)')
+ self.declareProperty('FunctionNames', DefaultValue='', Validator = MandatoryValidator(),Description = 'Function names - comma separated(eg Fqt Sqw)')
+ self.declareProperty(Name='Verbose',DefaultValue=True,Description = 'Switch Verbose Off/On')
+ self.declareProperty(Name='Save',DefaultValue=False,Description = 'Switch Save result to nxs file Off/On')
+ self.declareProperty(Name='Plot',DefaultValue='None',Validator=ListValidator(['None','Spectrum','Contour','Both']),Description = 'Plot options')
+
+ def PyExec(self):
+
+ self.log().information('MolDynLoad input')
+ file = self.getPropertyValue('FileName')
+ functions = self.getPropertyValue('FunctionNames')
+ func = functions.split(',')
+ verbOp = self.getProperty('Verbose')
+ saveOp = self.getProperty('Save')
+ plotOp = self.getPropertyValue('Plot')
+
+ MolDynImport(file,func,verbOp,plotOp,saveOp)
+
+mantid.registerPyAlgorithm(MolDynLoad()) # Register algorithm with Mantid
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/CMakeLists.txt b/Code/Mantid/MantidQt/CustomInterfaces/CMakeLists.txt
index 511edbb5c8eac427fc62ab2292d9277eb1598315..a89b8c2b8f9ddb91ab875a4feae5cc22c1ac6194 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/CMakeLists.txt
+++ b/Code/Mantid/MantidQt/CustomInterfaces/CMakeLists.txt
@@ -118,8 +118,11 @@ set ( MOC_FILES inc/MantidQtCustomInterfaces/Background.h
set ( UI_FILES inc/MantidQtCustomInterfaces/ConvertToEnergy.ui
inc/MantidQtCustomInterfaces/CreateMDWorkspace.ui
inc/MantidQtCustomInterfaces/CreateMDWorkspaceAlgDialog.ui
+ inc/MantidQtCustomInterfaces/ForCE.ui
inc/MantidQtCustomInterfaces/IndirectDataAnalysis.ui
inc/MantidQtCustomInterfaces/IndirectDiffractionReduction.ui
+ inc/MantidQtCustomInterfaces/IndirectForeign.ui
+ inc/MantidQtCustomInterfaces/MolDyn.ui
inc/MantidQtCustomInterfaces/MuonAnalysis.ui
inc/MantidQtCustomInterfaces/SANSPlotSpecial.ui
inc/MantidQtCustomInterfaces/SANSRunWindow.ui
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui
new file mode 100644
index 0000000000000000000000000000000000000000..960642ffbe60a046d18f48472c1a06c60c47c745
--- /dev/null
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ForCE.ui
@@ -0,0 +1,221 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>626</width>
+ <height>193</height>
+ </rect>
+ </property>
+ <property name="windowTitle">
+ <string>Form</string>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout">
+ <item>
+ <widget class="MantidQt::MantidWidgets::MWRunFiles" name="mwRun">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="label" stdset="0">
+ <string>Run:</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_5">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_2">
+ <item>
+ <widget class="QLabel" name="lblInstrument">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Instrument: </string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QComboBox" name="cbInstrument"/>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_3">
+ <item>
+ <widget class="QLabel" name="lblAnalyser">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Analyser:</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QComboBox" name="cbAnalyser"/>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_4">
+ <item>
+ <widget class="QLabel" name="lblReflection">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Preferred">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Reflection:</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QComboBox" name="cbReflection"/>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_8">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_7">
+ <item alignment="Qt::AlignHCenter">
+ <widget class="QCheckBox" name="chkUseMap">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Use Map</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_6">
+ <item alignment="Qt::AlignHCenter">
+ <widget class="QCheckBox" name="chkRejectZero">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Reject Zero</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QGroupBox" name="gbOutput">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="title">
+ <string>Output Options</string>
+ </property>
+ <layout class="QHBoxLayout" name="horizontalLayout">
+ <item>
+ <widget class="QCheckBox" name="chkVerbose">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="text">
+ <string>Verbose</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_17">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="chkPlot">
+ <property name="text">
+ <string>Plot Result</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_18">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="chkSave">
+ <property name="text">
+ <string>Save Result</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <customwidgets>
+ <customwidget>
+ <class>MantidQt::MantidWidgets::MWRunFiles</class>
+ <extends>QWidget</extends>
+ <header>MantidQtMantidWidgets/MWRunFiles.h</header>
+ </customwidget>
+ </customwidgets>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectForeign.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectForeign.ui
new file mode 100644
index 0000000000000000000000000000000000000000..a241c6fe9f6ab89f90cf6e4be5465b051e93a499
--- /dev/null
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectForeign.ui
@@ -0,0 +1,104 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>IndirectForeign</class>
+ <widget class="QWidget" name="IndirectForeign">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>530</width>
+ <height>282</height>
+ </rect>
+ </property>
+ <property name="windowTitle">
+ <string>Indirect Foreign</string>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout">
+ <item>
+ <widget class="QTabWidget" name="indirectForeignTabs">
+ <property name="currentIndex">
+ <number>0</number>
+ </property>
+ <widget class="QWidget" name="forCE">
+ <attribute name="title">
+ <string>ForCE</string>
+ </attribute>
+ </widget>
+ <widget class="QWidget" name="molDyn">
+ <attribute name="title">
+ <string>MolDyn</string>
+ </attribute>
+ </widget>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="layout_bottom">
+ <item>
+ <widget class="QPushButton" name="pbHelp">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>20</width>
+ <height>20</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>?</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_14">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QPushButton" name="pbRun">
+ <property name="text">
+ <string>Run</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_11">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QPushButton" name="pbManageDirs">
+ <property name="text">
+ <string>Manage Directories</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui
new file mode 100644
index 0000000000000000000000000000000000000000..cf6be9a28ae3584cfbde171ea2bed369e522f1cd
--- /dev/null
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MolDyn.ui
@@ -0,0 +1,146 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Form</class>
+ <widget class="QWidget" name="Form">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>629</width>
+ <height>160</height>
+ </rect>
+ </property>
+ <property name="windowTitle">
+ <string>Form</string>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout">
+ <item>
+ <layout class="QGridLayout" name="gridLayout">
+ <item row="0" column="1">
+ <widget class="MantidQt::MantidWidgets::MWRunFiles" name="mwRunNumber">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="label" stdset="0">
+ <string/>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="0">
+ <widget class="QLabel" name="lblRun">
+ <property name="text">
+ <string>Run:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="0">
+ <widget class="QLabel" name="lblFunctionNames">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="text">
+ <string>Function Names:</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="1">
+ <widget class="QLineEdit" name="leFunctionNames"/>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QGroupBox" name="gbOutput">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="title">
+ <string>Output Options</string>
+ </property>
+ <layout class="QHBoxLayout" name="horizontalLayout">
+ <item>
+ <widget class="QCheckBox" name="chkVerbose">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="text">
+ <string>Verbose</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_17">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="chkPlot">
+ <property name="text">
+ <string>Plot Result</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_18">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="chkSave">
+ <property name="text">
+ <string>Save Result</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <customwidgets>
+ <customwidget>
+ <class>MantidQt::MantidWidgets::MWRunFiles</class>
+ <extends>QWidget</extends>
+ <header>MantidQtMantidWidgets/MWRunFiles.h</header>
+ </customwidget>
+ </customwidgets>
+ <resources/>
+ <connections/>
+</ui>
diff --git a/Code/Mantid/scripts/Inelastic/MolDynTransfer.py b/Code/Mantid/scripts/Inelastic/MolDynTransfer.py
new file mode 100644
index 0000000000000000000000000000000000000000..85e379b7eaee4b2ae7d37fa8397ed36a3bc62b46
--- /dev/null
+++ b/Code/Mantid/scripts/Inelastic/MolDynTransfer.py
@@ -0,0 +1,293 @@
+#Force for ILL backscattering raw
+#
+from IndirectImport import *
+from mantid.simpleapi import *
+from mantid import config, logger, mtd
+from mantid.kernel import V3D
+import sys, math, os.path, numpy as np
+from IndirectCommon import StartTime, EndTime, ExtractFloat, ExtractInt
+from IndirectForce import ChangeAngles, InstrParas, RunParas
+mp = import_mantidplot()
+
+# Routines for Ascii file of MolDyn data
+
+def SplitLine(a):
+ elements = a.split() #split line on character
+ extracted = []
+ for n in elements:
+ extracted.append(float(n))
+ return extracted #values as list
+
+def FindDimensions(a,Verbose):
+ ldim = FindStarts(a,'dimensions',0)
+ lQ = FindTabStarts(a,'NQVALUES',0)
+ lT = FindTabStarts(a,'NTIMES',0)
+ lF = FindTabStarts(a,'NFREQUENCIES',0)
+ Qel = a[lQ].split()
+ nQ = int(Qel[2])
+ Tel = a[lT].split()
+ nT = int(Tel[2])
+ Fel = a[lF].split()
+ nF = int(Tel[2])
+ if Verbose:
+ logger.notice(a[2][1:-1])
+ logger.notice(a[3][1:-1])
+ logger.notice(a[6][1:-1])
+ return nQ,nT,nF
+
+def FindStarts(asc,c,l1):
+ for l in range(l1,len(asc)):
+ char = asc[l]
+ if char.startswith(c):
+ line = l
+ break
+ return line
+
+def FindTabStarts(asc,c,l1):
+ for l in range(l1,len(asc)):
+ char = asc[l][1:]
+ if char.startswith(c):
+ line = l
+ break
+ return line
+
+def FindEnds(asc,c,l1):
+ for l in range(l1,len(asc)):
+ char = asc[l]
+ if char.endswith(c):
+ line = l
+ break
+ return line
+
+def FindChar(asc,c,l1):
+ for l in range(l1,len(asc)):
+ char = asc[l]
+ if char.find(c):
+ line = l
+ break
+ return line
+
+def MakeList(a,l1,l2):
+ asc = ''
+ for m in range(l1,l2+1):
+ asc += a[m]
+ alist = asc.split(',')
+ return alist
+
+def MolDynImport(file,functions,Verbose,Plot,Save): #Ascii start routine
+ StartTime('MolDynImport')
+ workdir = config['defaultsave.directory']
+ filext = file + '.cdl'
+ path = os.path.join(workdir, filext)
+ if Verbose:
+ logger.notice('Functions : '+str(functions))
+ logger.notice('Reading file : ' + path)
+ handle = open(path, 'r')
+ asc = []
+ for line in handle:
+ line = line.rstrip()
+ asc.append(line)
+ handle.close()
+ lasc = len(asc)
+# raw head
+ nQ,nT,nF = FindDimensions(asc,Verbose)
+ ldata = FindStarts(asc,'data:',0)
+ lq1 = FindStarts(asc,' q =',ldata) #start Q values
+ lq2 = FindStarts(asc,' q =',lq1-1)
+ Qlist = MakeList(asc,lq1,lq2)
+ if nQ != len(Qlist):
+ error = 'ERROR *** reading Q values'
+ logger.notice(error)
+ sys.exit(error)
+ Qf = Qlist[0].split()
+ Q = [float(Qf[2])/10.0]
+ for m in range(1,nQ-1):
+ Q.append(float(Qlist[m])/10.0)
+ Q.append(float(Qlist[nQ-1][:-1])/10.0)
+ if Verbose:
+ logger.notice('Q values = '+str(Q))
+ lt1 = FindStarts(asc,' time =',lq2) #start T values
+ lt2 = FindEnds(asc,';',lt1)
+ Tlist = MakeList(asc,lt1,lt2)
+ if nT != len(Tlist):
+ error = 'ERROR *** reading Time values'
+ logger.notice(error)
+ sys.exit(error)
+ Tf = Tlist[0].split()
+ T = [float(Tf[2])]
+ for m in range(1,nT-1):
+ T.append(float(Tlist[m]))
+ T.append(float(Tlist[nT-1][:-1]))
+ T.append(2*T[nT-1]-T[nT-2])
+ if Verbose:
+ logger.notice('T values = '+str(T[:2])+' to '+str(T[-3:]))
+ lf1 = FindStarts(asc,' frequency =',lq2) #start F values
+ lf2 = FindEnds(asc,';',lf1)
+ Flist = MakeList(asc,lf1,lf2)
+ if nF != len(Flist):
+ error = 'ERROR *** reading Freq values'
+ logger.notice(error)
+ sys.exit(error)
+ Ff = Flist[0].split()
+ F = [float(Ff[2])]
+ for m in range(1,nF-1):
+ F.append(float(Flist[m]))
+ F.append(float(Flist[nF-1][:-1]))
+ F.append(2*F[nF-1]-T[nF-2])
+ if Verbose:
+ logger.notice('F values = '+str(F[:2])+' to '+str(F[-3:]))
+# Function
+ for func in functions:
+ start = []
+ lstart = lt2
+ if func[:3] == 'Fqt':
+ nP = nT
+ xEn = np.array(T)
+ eZero = np.zeros(nT)
+ xUnit = 'TOF'
+ if func[:3] == 'Sqw':
+ nP = nF
+ xEn = np.array(F)
+ eZero = np.zeros(nF)
+ xUnit = 'Energy'
+ for n in range(0,nQ):
+ for m in range(lstart,lasc):
+ char = asc[m]
+ if char.startswith(' // '+func):
+ start.append(m)
+ lstart = m+1
+ lend = FindEnds(asc,';',lstart)
+ start.append(lend+1)
+# logger.notice('Start lines : '+str(start))
+ Qaxis = ''
+ for n in range(0,nQ):
+ if Verbose:
+ logger.notice('Reading : '+asc[start[n]])
+ Slist = MakeList(asc,start[n]+1,start[n+1]-1)
+ if n == nQ-1:
+ Slist[nP-1] = Slist[nP-1][:-1]
+ S = []
+ for m in range(0,nP):
+ S.append(float(Slist[m]))
+ if nP != len(S):
+ error = 'ERROR *** reading S values'
+ logger.notice(error)
+ sys.exit(error)
+ else:
+ if Verbose:
+ logger.notice('S values = '+str(S[:2])+' to '+str(S[-2:]))
+ if n == 0:
+ Qaxis += str(Q[n])
+ xDat = xEn
+ yDat = np.array(S)
+ eDat = eZero
+ else:
+ Qaxis += ','+str(Q[n])
+ xDat = np.append(xDat,xEn)
+ yDat = np.append(yDat,np.array(S))
+ eDat = np.append(eDat,eZero)
+ outWS = file+'_'+func
+ CreateWorkspace(OutputWorkspace=outWS, DataX=xDat, DataY=yDat, DataE=eDat,
+ Nspec=nQ, UnitX=xUnit, VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
+ if Save:
+ opath = os.path.join(workdir,outWS+'.nxs')
+ SaveNexusProcessed(InputWorkspace=outWS, Filename=opath)
+ if Verbose:
+ logger.notice('Output file : ' + opath)
+ if (Plot != 'None'):
+ plotMolDyn(outWS,Plot)
+ EndTime('MolDynImport')
+
+def plotMolDyn(inWS,Plot):
+ if (Plot == 'Spectrum' or Plot == 'Both'):
+ nHist = mtd[inWS].getNumberHistograms()
+ if nHist > 10 :
+ nHist = 10
+ plot_list = []
+ for i in range(0, nHist):
+ plot_list.append(i)
+ res_plot=mp.plotSpectrum(inWS,plot_list)
+ if (Plot == 'Contour' or Plot == 'Both'):
+ cont_plot=mp.importMatrixWorkspace(inWS).plotGraph2D()
+
+def MolDynText(file,Verbose,Plot,Save): #Ascii start routine
+ StartTime('MolDynAscii')
+ workdir = config['defaultsave.directory']
+ filext = file + '.dat'
+ path = os.path.join(workdir, filext)
+ if Verbose:
+ logger.notice('Reading file : ' + path)
+ handle = open(path, 'r')
+ asc = []
+ for line in handle:
+ line = line.rstrip()
+ asc.append(line)
+ handle.close()
+ lasc = len(asc)
+ val = SplitLine(asc[3])
+ Q = []
+ for n in range(1,len(val)):
+ Q.append(val[n])
+ nQ = len(Q)
+ x = []
+ y = []
+ for n in range(4,lasc):
+ val = SplitLine(asc[n])
+ x.append(val[0])
+ yval = val[1:]
+ y.append(yval)
+ nX = len(x)
+ if Verbose:
+ logger.notice('nQ = '+str(nQ))
+ logger.notice('nT = '+str(nX))
+ xT = np.array(x)
+ eZero = np.zeros(nX)
+ Qaxis = ''
+ for m in range(0,nQ):
+ if Verbose:
+ logger.notice('Q['+str(m+1)+'] : '+str(Q[m]))
+ S = []
+ for n in range(0,nX):
+ S.append(y[n][m])
+ if m == 0:
+ Qaxis += str(Q[m])
+ xDat = xT
+ yDat = np.array(S)
+ eDat = eZero
+ else:
+ Qaxis += ','+str(Q[m])
+ xDat = np.append(xDat,xT)
+ yDat = np.append(yDat,np.array(S))
+ eDat = np.append(eDat,eZero)
+ outWS = file + '_iqt'
+ CreateWorkspace(OutputWorkspace=outWS, DataX=xDat, DataY=yDat, DataE=eDat,
+ Nspec=nQ, UnitX='TOF')
+# Nspec=nQ, UnitX='TOF', VerticalAxisUnit='MomentumTransfer', VerticalAxisValues=Qaxis)
+ Qmax = Q[nQ-1]
+ instr = 'MolDyn'
+ ana = 'qmax'
+ if Qmax <= 2.0:
+ refl = '2'
+ else:
+ refl = '4'
+ InstrParas(outWS,instr,ana,refl)
+ efixed = RunParas(outWS,instr,file,file,Verbose)
+ if Verbose:
+ logger.notice('Qmax = '+str(Qmax)+' ; efixed = '+str(efixed))
+ pi4 = 4.0*math.pi
+ wave=1.8*math.sqrt(25.2429/efixed)
+ theta = []
+ for n in range(0,nQ):
+ qw = wave*Q[n]/pi4
+ ang = 2.0*math.degrees(math.asin(qw))
+ theta.append(ang)
+ ChangeAngles(outWS,instr,theta,Verbose)
+ if Save:
+ opath = os.path.join(workdir,outWS+'.nxs')
+ SaveNexusProcessed(InputWorkspace=outWS, Filename=opath)
+ if Verbose:
+ logger.notice('Output file : ' + opath)
+ if (Plot != 'None'):
+ plotMolDyn(outWS,Plot)
+ EndTime('MolDynAscii')
+